Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9869192 | 1.00 | ALDH1A1 (0.63) | ALDH1A1CES2MAOBMAPTMEN1 | |
| SCHEMBL4901204 | 0.81 | CYP1A2 (0.59) | ALDH1A1CES2MAOBMAPTKMT2A | |
| SCHEMBL4901207 | 0.81 | CYP1A2 (0.59) | ALDH1A1CES2MAOBMAPTKMT2A | |
| SCHEMBL4043625 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CES2MAOBMAPTMEN1 | |
| SCHEMBL23773631 | 0.78 | CYP1A2 (0.51) | ALDH1A1MAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL28795999 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CES2MAOBMEN1KMT2A | |
| SCHEMBL3876454 | 0.78 | CES2 (0.65) | ALDH1A1CES2MEN1KMT2ANPSR1 | |
| SCHEMBL99941 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CES2MAOBMAPTNPSR1 | |
| SCHEMBL99942 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CES2MAOBMAPTNPSR1 | |
| SCHEMBL20924842 | 0.77 | MAOB (0.60) | ALDH1A1CES2MAOBMAPTMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5037980-A | Anxiolytic agents, hypotensive agents | AMERICAN CYANAMID COMPANY (US) | 1991-08-06 | — | — | US | disclosed |
| US-5003070-A | Antilipemic agents; arteriosclerosis; antibiotics | CIBA-GEIGY CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |
| US-4988712-A | INSECTICIDES | NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) | 1991-01-29 | — | — | US | disclosed |
| US-4882344-A | INSECTICIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-11-21 | — | — | US | disclosed |
| US-4847256-A | HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1989-07-11 | — | — | US | disclosed |
| US-4803277-A | INSECTICIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-02-07 | — | — | US | disclosed |
| EP-0264773-A1 | 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines | AMERICAN CYANAMID COMPANY (US) | 1988-04-27 | — | — | EP | disclosed |